Bench-top Spectrometer Research Articles

Quantitation of iohexol, a glomerular filtration marker, in human plasma by LC–MS/MS

We developed a high-performance liquid chromatography mass spectrometry method for quantitating iohexol in 50 μL human plasma. After acetonitrile protein precipitation, chromatographic separation was achieved with a Shodex Asahipak NH2P-50 2D (5 μm, 2 × 150 mm) column and a gradient of 0.1 % formic acid in acetonitrile and 0.1 % formic acid in water over a 10 min run time. Mass spectrometric detection was performed on a Micromass Quatromicro triple-stage bench-top mass spectrometer with electrospray, positive-mode ionization. The assay was linear from 1 to 500 μg/mL for iohexol, proved to be accurate (101.3–102.1 %) and precise (<3.4 %CV), and fulfilled Food and Drug Administration (FDA) criteria for bioanalytical method validation. Recovery from plasma was 53.1–64.2 % and matrix effect was trivial (−3.4 to −1.3 %). Plasma freeze thaw stability (97.4–99.4 %), stability for 5 months at −80 °C (95.5–103.3 %), and stability for 4 h at room temperature (100.6–103.3 %) were all acceptable. This validated assay using a deuterated internal standard will be an important tool in measuring iohexol clearance and determining glomerular filtration rate (GFR) in patients.

Ultra-Low-Cost Self-Referencing Multispectral Detector for Non-Destructive Measurement of Fruit Quality

A very low-cost sensor is developed to non-destructively test fruits by sequentially turning on light-emitting diodes at 12 different wavelengths and measuring the reflectance in the interactance mode. The detector is tested on kiwifruit to measure soluble solids content (SSC) and dry matter (DM) non-destructively, while the performance is compared with a benchtop spectrometer. For SSC and DM measurements, a total of 378 and 200 samples of kiwifruits were measured respectively. Non-parametric regression was used for the multi-spectral detector, while a partial least squares regression model was used for the benchtop spectrometer. Different regression techniques were used as they provided the best prediction for the two different measurements. For SSC measurements, coefficient of determination (R2) of 0.83, root mean square error for prediction (RMSEP) of 0.85%, bias of −0.004%, and SDR of 2.45 were observed using the multispectral detector. The corresponding values achieved with the benchtop spectrometer were 0.98, 0.37%, 0.01%, and 5.60, respectively. For dry matter measurements with 200 kiwifruits, R2, RMSEP, bias, and SDR of 0.83, 0.61%, −0.02, and 2.44 were achieved with the prototype multispectral detector compared with the values of 0.96, 0.31%, −0.11, and 4.80, respectively, achieved with the benchtop spectrometer. The efficacy of the multispectral detector was also tested by measuring 30 navel oranges, wherein an R2 and root mean square error for calibration (RMSEC) of 0.79 and 0.47% were achieved for SSC measurements. While the performance of the multispectral detection is lower than a benchtop spectrometer, its performance is still better than low-cost spectrometers and can be used to inexpensively measure the quality of fruits in a non-destructive manner.

Quality assessment of instant green tea using portable NIR spectrometer.

Caffeine and catechin are two main components of instant green tea, and are essential components of tea quality. This paper mainly focuses on the feasibility of rapidly determining instant green tea components by using a portable near infrared (NIR) spectrometer. The two main components (caffeine and catechin) were studied. In addition, the instrument performance levels of portable and benchtop NIR spectrometers were studied and compared. Quantitative models developed using portable and benchtop spectrometers for measuring caffeine, total catechins, and four individual catechins were established and compared. After preprocessing using standard normal variate (SNV), the Rp values of the caffeine, total catechins, (-)-epigallocatechin, (-)-epigallocatechin 3-gallate, (-)-epicatechin, and (-)-epicatechin gallate in the partial least squares models for a portable NIR spectrometer were 0.974, 0.962, 0.669, 0.945, 0.942 and 0.905, respectively. For a benchtop NIR spectrometer, Rp values were 0.993, 0.958, 0.883, 0.955, 0.966 and 0.936, respectively. Passing-Bablok regression method results indicated no significant differences between the two instruments. A genetic algorithm (GA) and the successive projections algorithm (SPA) were used to screen the wavelength of the NIR spectrum and establish the model. The GA obtained more robust modeling results. This study concludes that the developed portable spectroscopy system combined with appropriate variable selection methods can be effectively used for rapid determination of caffeine, total catechins, and four individual catechins in instant green tea.

Detecting Low Concentrations of Nitrogen-Based Adulterants in Whey Protein Powder Using Benchtop and Handheld NIR Spectrometers and the Feasibility of Scanning through Plastic Bag.

Nitrogen-rich adulterants in protein powders present sensitivity challenges to conventional combustion methods of protein determination which can be overcome by near Infrared spectroscopy (NIRS). NIRS is a rapid analytical method with high sensitivity and non-invasive advantages. This study developed robust models using benchtop and handheld spectrometers to predict low concentrations of urea, glycine, taurine, and melamine in whey protein powder (WPP). Effectiveness of scanning samples through optical glass and polyethylene bags was also tested for the handheld NIRS. WPP was adulterated up to six concentration levels from 0.5% to 3% w/w. The two spectrometers were used to obtain three datasets of 819 diffuse reflectance spectra each that were pretreated before linear discriminant analysis (LDA) and regression (PLSR). Pretreatment was effective and revealed important absorption bands that could be correlated with the chemical properties of the mixtures. Benchtop NIR spectrometer showed the best results in LDA and PLSR but handheld NIR spectrometers showed comparatively good results. There were high prediction accuracies and low errors attesting to the robustness of the developed PLSR models using independent test set validation. Both the plastic bag and optical glass gave good results with accuracies depending on the adulterant of interest and can be used for field applications.

Detection of Haemonchus contortus nematode eggs in sheep faeces using near and mid-infrared spectroscopy

This paper reports the use of near infrared and mid-infrared spectroscopy to detect the presence and quantity of eggs of the gastrointestinal nematode Haemonchus contortus in sheep faeces. Haemonchus contortus eggs were quantified in dried, finely ground sheep faeces and in moist, coarsely ground faeces using near infrared and mid-infrared bench top spectrometers and a portable near infrared spectrometer. When Haemonchus contortus eggs were presented without faecal medium, it was found that the wavelength region of 1880–2100 nm was most important for detection. Broad classes of chemical properties found in the near infrared region were identified for dried Haemonchus contortus eggs using a mid-infrared spectrometer. However, when Haemonchus contortus eggs were mixed into the complex matrix of sheep faeces, the development of a robust calibration model for egg detection proved to be challenging (R2 &lt; 0.47). The reliability of this method, if used for the detection of Haemonchus contortus eggs in the field, may be further limited by variations in egg species, faecal moisture content, faecal composition and particle size. Nevertheless, this is the first report identifying near infrared bands for Haemonchus contortus eggs and provides valuable information for future studies towards a spectroscopy-based method for detection of gastrointestinal nematodes.

Theae nigrae folium: Comparing the analytical performance of benchtop and handheld near-infrared spectrometers

We investigated caffeine and l-theanine, quality characteristics for camellia sinensis, in milled and ground black tea samples with near-infrared (NIR) spectroscopy giving a direct comparison between the performances of benchtop and handheld NIR spectrometers. The constructed partial least squares regression (PLSR) models for all spectrometers were validated by test-set-validation and according to the obtained root mean square errors of prediction (RMSEP). The performances of the spectrometers were as follows: The benchtop spectrometer NIRFlex N-500 (Büchi, Flawil, Switzerland) showed the best results for milled samples with a RMSEP of 0.14% for caffeine and 0.12% for l-theanine. For the ground samples, a RMSEP of 0.17% for caffeine and 0.12% for l-theanine was gained. While the handheld spectrometers MicroNIR 2200 (Viavi Solutions (former: JDS Uniphase Corporation), Milpitas, USA) and the microPHAZIR (Thermo Fisher Scientific, Waltham, USA) both provided good results for the prediction of caffeine in milled samples (RMSEP of 0.22% and 0.26%), only the microPHAZIR was able to satisfactorily determine the caffeine content in ground samples (RMSEP of 0.28%). The investigation of l-theanine with handheld spectrometers did not lead to convincing results, since R2 was 0.75 for milled samples while ground samples could not be calculated. Decisive differences were concluded in how different NIR instruments capture the chemical information on caffeine vs. l-theanine. The handheld spectrometers manifested limited applicability to l-theanine. Deeper insight was obtained through the detailed NIR band assignments of caffeine and l-theanine derived from quantum mechanical simulation. Narrow working spectral region of handhelds omits the characteristic absorption bands of l-theanine. Therefore, information on l-theanine content measured by the evaluated miniaturized spectrometers is insufficient to enable its effective quantification. In contrast, the most characteristic NIR absorption of caffeine matches the working spectral regions of the handheld NIR spectrometers, hence their performance is comparable with the benchtop device.

Handheld near-infrared spectrometers: Where are we heading?

During NIR 2019 conference, Gold Coast, Australia, a presentation upon a critical review of instrumentation and applications of handheld spectrometers was delivered during the plenary session held on Thursday morning, 19 September. Following the conference presentation, a vivid discussion flared up among the audience that equally involved academic scholars, industry representatives, as well as professionals who carry out every day in-the-field applications. Various aspects were raised connected with the emerged new generation of near-infrared instrumentation, with many individuals expressing their point-of-view on the merits and pitfalls of the miniaturized spectrometers. This vigorous dispute and exchange of impressions indicated that the community remains concerned about the applicability of such devices. That concern reflects the still relatively shallowly explored miniaturization versus performance factor, which can only be dismissed by focused feasibility studies with comparative analyses carried out on scientific-grade benchtop spectrometers. It is the aim of the present manuscript to summarize the discussed scientific content and to share the developed point-of-view with addition of our remarks.

On-Site Identification of the Material Composition of PV Modules with Mobile Spectroscopic Devices

With the increased development of portable and handheld molecular spectrometers within recent years, new fields of applications have opened up, such as their use (i) for material identification of samples contained in large and non-portable components and (ii) the detection of material degradation effects and failures directly in the plant. The usability and transferability of well-established analytical characterization techniques, such as attenuated total reflection (ATR) Infrared (IR)-, Raman, and Near-Infrared (NIR)-spectroscopy as mobile devices for the in-field characterization of Photovoltaic (PV) modules, are described and discussed. Material identification of the polymeric compounds incorporated in the PV modules (encapsulants, backsheets) is often an important task, especially when degradation and failures occur. Whereas the knowledge of the bill of materials is one challenge, the detection of material degradation effects is another important issue. Both tasks can be solved nondestructively by the application of mobile spectrometers. Raman spectroscopy is the best-suited method for the identification of the encapsulant within the module (measurement through 3-mm glass), while NIR measurements allowed for the nondestructive determination of the composition of the multilayer backsheet. Surface degradation effects (e.g., oxidation, hydrolysis) are best detectable with IR-spectroscopy. The application of mobile devices allows for direct material analysis in the field without dismantling PV modules, transporting them to the lab, cutting them in smaller pieces, and analyzing them in conventional bench-top spectrometers.

Evaluation of a Spatial Heterodyne Spectrometer for Raman Spectroscopy of Minerals

Spatial heterodyne spectroscopy (SHS) is a novel spectral analysis technique that is being applied for Raman spectroscopy of minerals. This paper presents the theoretical basis of SHS and its application for Raman measurements of calcite, quartz and forsterite in marble, copper ore and nickel ore, respectively. The SHS measurements are done using a broadband (518–686 nm) and resolving power R ≈ 3000 instrument. The spectra obtained using SHS are compared to those obtained by benchtop and modular dispersive spectrometers. It is found that SHRS performance in terms of resolution is comparable to that of the benchtop spectrometer and better than the modular dispersive spectrometer, while the sensitivity of SHRS is worse than that of a benchtop spectrometer, but better than that of a modular dispersive spectrometer. When considered that SHS components are small and can be packaged into a handheld device, there is interest in developing an SHS-based instrument for mobile Raman spectroscopy. This paper evaluates the possibility of such an application.

Enhancing benchtop NMR spectroscopy by means of sample shifting.

Benchtop NMR spectrometers have become widely available over the last decade. They are now used successfully in various branches of chemistry. Their popularity continues to grow due to their low price and almost zero running costs. However, benchtop spectrometers suffer from low resolution and sensitivity compared to the high-field spectrometers used in NMR labs for several decades. In this article we present a solution for boosting the sensitivity of benchtop NMR spectrometers in a multi-scan experiment and improving their capabilities in quantitative measurement. Our solution involves the synchronized shifting of a sample to preserve its high nuclear polarization during the measurement. We performed several experiments using different samples to confirm this improved performance: an 1H NMR experiment for 4,4-dimethoxy-2-butanone, and 13C NMR experiments for benzyl salicylate, the liquid pharmaceutical product Acerin (skin solution), and a mixture of m-anisaldehyde and (R)-(+)-limonene.

A Dual-modality Smartphone Microendoscope for Quantifying the Physiological and Morphological Properties of Epithelial Tissues

We report a nonconcurrent dual-modality fiber-optic microendoscope (named SmartME) that integrates quantitative diffuse reflectance spectroscopy (DRS) and high-resolution fluorescence imaging (FLI) into a smartphone platform. The FLI module has a spatial resolution of ~3.5 µm, which allows the determination of the nuclear-cytoplasmic ratio (N/C) of epithelial tissues. The DRS has a spectral resolution of ~2 nm and can measure the total hemoglobin concentration (THC) and scattering properties of epithelial tissues with mean errors of 4.7% and 6.9%, respectively, which are comparable to the errors achieved with a benchtop spectrometer. Our preliminary in vivo studies from a single healthy human subject demonstrate that the SmartME can noninvasively quantify the tissue parameters of normal human oral mucosa tissues, including labial mucosa tissue, gingival tissue, and tongue dorsum tissue. The THCs of the three oral mucosa tissues are significantly different from each other (p ≤ 0.003). The reduced scattering coefficients of the gingival and labial tissues are significantly different from those of the tongue dorsum tissue (p < 0.001) but are not significantly different from each other. The N/Cs for all three tissue types are similar. The SmartME has great potential to be used as a portable, cost-effective, and globally connected tool to quantify the THC and scattering properties of tissues in vivo.

Evaluation of a calibration transfer between a bench top and portable Mid-InfraRed spectrometer for cocaine classification and quantification

A portable Fourier Transform Mid-InfraRed (FT-MIR) spectrometer using Attenuated Total Reflectance (ATR) sampling is used for daily routine screening of seized powders. Earlier, ATR-FT-MIR combined with Support Vector Machines (SVM) algorithms resulted in a significant improvement of the screening method to a reliable and straightforward classification and quantification tool for both cocaine and levamisole. However, can this tool be transferred to new (hand-held) devices, without loss of the extensive data set? The objective of this study was to perform a calibration transfer between a newly purchased bench top (BT) spectrometer and a portable (P) spectrometer with existing calibration models. Both instruments are from the same brand and have identical characteristics and acquisition parameters (FT instrument, resolution of 4 cm−1 and wavenumber range 4000 to 500 cm−1). The original SVM classification model (n = 515) and SVM quantification model (n = 378) were considered for the transfer trial.Three calibration transfer strategies were assessed: 1) adjustment of slope and bias; 2) correction of spectra from the new instrument BT to P using Piecewise Direct Standardization (PDS) and 3) building a new mixed instrument model with spectra of both instruments. For each approach, additional cocaine powders were measured (n = 682) and the results were compared with GC-MS and GC-FID.The development of a mixed instrument model was the most successful in terms of performance. The future strategy of a mixed model allows applying the models, developed in the laboratory, to portable instruments that are used on-site, and vice versa.The approach offers opportunities to exchange data within a network of forensic laboratories using other FT-MIR spectrometers.

ODX: A Fitness Tracker-Based Device for Continuous Bacterial Growth Monitoring.

Continuous monitoring of bacterial growth in aqueous media is a crucial process in academic research as well as in the biotechnology industry. Bacterial growth is usually monitored by measuring the optical density of bacteria in liquid media, using benchtop spectrophotometers. Due to the large form factor of the existing spectrophotometers, they cannot be used for live monitoring of the bacteria inside bacterial incubation chambers. Additionally, the use of benchtop spectrometers for continuous monitoring requires multiple samplings and is labor intensive. To overcome these challenges, we have developed an optical density measuring device (ODX) by modifying a generic fitness tracker. The resulting ODX device is an ultraportable and low-cost device that can be used inside bacterial incubators for real-time monitoring even while shaking is in progress. We evaluated the performance of ODX with different bacterial types and growth conditions and compared it with a commercial benchtop spectrophotometer. In all cases, ODX showed comparable performance to that of the standard benchtop spectrophotometer. Finally, we demonstrate a simple and useful smartphone application whereby the user is notified when the bacterial concentration reaches the targeted value. Due to its potential for automation and mass production, we believe that the ODX has a wide range of applications in biotechnology research and industry.

Benchtop NMR Spectroscopy and Spectral Analysis of the cis- and trans-Stilbene Products of the Wittig Reaction

ABSTRACT: Benchtop NMR spectrometers are now becoming more widely employed in university teaching laboratories. These low-field instruments are increasingly used in reaction monitoring and product purity applications. NMR spectra obtained using these spectrometers (40−80 MHz) tend to suffer from significant overlap of signals when compared to those obtained at 300−400 MHz or above, and therefore, some reactions may be less suited to analysis using such benchtop systems. While some reactions can be modified to make them more amenable to analysis on low-field benchtop spectrometers, the fact remains that many common undergraduate laboratory chemistry reactions remain as a stalwart of the university education system. Therefore, there is currently a major requirement for benchtop NMR analysis to improve in order to facilitate student understanding. Herein, it is demonstrated that a combination of spectral analysis and simulation at low-fields (40−80 MHz) allows the fine structure of second-order effects and overlapping spectra to be deduced, enabling an improved understanding of the low-field benchtop NMR technique within undergraduate student cohorts. The evolution of well-resolved and distinct multiplets at 400 MHz to complex, overlapping multiplets at 40−80 MHz also serves as a useful guide for laboratory demonstrators and academic staff when explaining the advantages of such benchtop systems. The Wittig reaction has been a standard reaction practical session in many university teaching laboratories since the 1980s, the products of which are a mixture of cis- and trans-stilbenes. This reaction serves as an ideal example of how benchtop NMR spectrometers and analysis can support chemistry teaching laboratories.

Investigations into the use of handheld near-infrared spectrometer and novel semi-automated data analysis for the determination of protein content in different cultivars of Panicum miliaceumL.

A set of 42 millet (panicum miliaceum L.) samples was investigated for its protein content using standard Kjeldahl analysis and near-infrared spectroscopy. The performance of three handheld spectrometers was compared to a benchtop instrument. The used spectrometers operate in different regions of the NIR, which gives interesting insights into the applicability of each region. Additionally, semi-automated, consumer-oriented multivariate data analysis was compared to sophisticated data evaluation.The performance of the near-infrared instruments was compared using important statistical parameters of the established cross- and test set validated partial least squares regression (PLS-R) models. Milled and intact samples were analysed, in order to further evaluate the importance of homogeneity.The results showed that the benchtop spectrometer is capable of accurately analysing protein content of millet grains, with root mean square error (RMSEP) values for milled and intact grains of approximately 0.5%. Two PLS-R models of handheld instruments also yielded good results for milled grains with RMSEP values of about 0.6%. The semi-automated multivariate data analysis showed some drawbacks compared to standard data processing software. For intact grains, however, similar results could be achieved.

Improved calibration transfer between near-Infrared (NIR) spectrometers using canonical correlation analysis

The application of mobile near-infrared (NIR) spectrometers in field measurements is growing. Calibration transfer techniques offer simple solutions for enabling models constructed on benchtop instruments for use on mobile spectrometers. Since different types of spectrometers with different components, scanning ranges and resolutions cause great differences in the spectral response, calibration transfer is difficult to apply. In this paper, we focus on calibration transfer among benchtop, portable and handheld spectrometers by a method of calibration transfer based on canonical correlation analysis (CTCCA). Its capability was illustrated by the example of a group of NIR spectra dataset for predicting reducing sugars, total sugar, and nicotine contents in tobacco leaves. The experimental results showed that the transferability of CTCCA was superior to other conventional calibration transfer methods, including piecewise direct standardization, spectral space transformation, calibration transfer based on independent component analysis, and calibration transfer based on the weight matrix. Moreover, the best transfer results were obtained in the three cases by canonical correlation analysis method executing transfer while the spectra were not interpolated, which shows that this approach has the advantage of easy implementation for calibration transfer. Therefore, CTCCA without interpolation calculation offers a new and simple solution for transferring the spectra acquired by mobile spectrometers to the optimized spectral models built on benchtop devices to improve the accuracy of the results. Additionally, the results show that the benchtop spectrometer is more suitable as the master instrument for calibration transfer with more accurate prediction than using a portable device as the master.

Reaction Monitoring Using SABRE-Hyperpolarized Benchtop (1 T) NMR Spectroscopy.

The conversion of [IrCl(COD)(IMes)] (COD = cis,cis-1,5-cyclooctadiene, IMes = 1,3-bis(2,4,6-trimethyl-phenyl)imidazole-2-ylidene) in the presence of an excess of para-hydrogen (p-H2) and a substrate (4-aminopyridine (4-AP) or 4-methylpyridine (4-MP)) into [Ir(H)2(IMes)(substrate)3]Cl is monitored by 1H NMR spectroscopy using a benchtop (1 T) spectrometer in conjunction with the p-H2-based hyperpolarization technique signal amplification by reversible exchange (SABRE). A series of single-shot 1H NMR measurements are used to monitor the chemical changes that take place in solution through the lifetime of the hyperpolarized response. Non-hyperpolarized high-field 1H NMR control measurements were also undertaken to confirm that the observed time-dependent changes relate directly to the underlying chemical evolution. The formation of [Ir(H)2(IMes)(substrate)3]Cl is further linked to the hydrogen isotope exchange (HIE) reaction, which leads to the incorporation of deuterium into the ortho positions of 4-AP, where the source of deuterium is the solvent, methanol-d4. Comparable reaction monitoring results are achieved at both high-field (9.4 T) and low-field (1 T). It is notable that the low sensitivity of the benchtop (1 T) NMR enables the use of protio solvents, which when used here allows the effects of catalyst formation and substrate deuteration to be separated. Collectively, these methods illustrate how low-cost low-field NMR measurements provide unique insight into a complex catalytic process through a combination of hyperpolarization and relaxation data.

Reliable and universally applicable chemometric techniques based on infrared spectroscopy to non-destructively quantify thermal damage of carbon fibre reinforced epoxy matrix composites

This work provides multivariate data analysis (chemometric) techniques based on infrared spectroscopy (FTIR) to separately determine temperature and duration of a moderate thermal pre-load on polymer matrix composites as well as their residual strength. The aim is to assess the precision of various techniques such as hand-held and bench top spectrometers, attenuated total reflection (ATR) and diffuse reflectance (DR) spectroscopy, as well as spectra recorded on surfaces and in the bulk of a specimen. A focus is laid on methods which are not only applicable for a single composite for which a calibration is established, but to universally apply them for epoxy based matrix systems with various thermoplastic tougheners. Therefore, data pre-treatments are investigated to focus on spectral changes which are selectively characteristic for the degradation of the thermally less stable epoxy resin. Firstly, difference spectra with pristine material are calculated and secondly, chemometric analysis is limited to spectral ranges characteristic for the epoxy resin. Commercially available composites (HexPly ® M18-1/G939, 8552/IM7, RTM6/G939, and Cycom® 977-3/IM7) are investigated. Multivariate analyses provide reliable values for time and temperature (average deviation < 10 °C) of the thermal pre-load and residual interlaminar shear strength of specific composites (average deviation < 5%). However, average deviations dramatically increase for universally applicable methods, limiting the use of this approach.

Analytical Evaluation of Low-Field 31P NMR Spectroscopy for Lipid Analysis.

We investigate the potential of 31P NMR with simple, maintenance-free benchtop spectrometers to probe phospholipids in complex mixtures. 31P NMR-based lipidomics has become an important topic in a wide range of applications in food- and health-sciences, and the continuous improvements of compact, maintenance- and cryogen-free instruments opens new opportunities for NMR routine analyses. A prior milestone is the evaluation of the analytical performance provided by 31P NMR at low magnetic field. To address this, we assess the ability of state-of-the-art benchtop NMR spectrometers to detect, identify, and quantify several types of phospholipids in mixtures. Relying on heteronuclear cross-polarization experiments, phospholipids can be detected in 2 h with a limit of detection of 0.5 mM at 1 T and 0.2 mM at 2 T, while the headgroups of phosphatidylcholine (PC), phosphatidyl-ethanolamine (PE), phosphatidylinositol (PI), phosphatidylserine (PS), and phosphatidyl-glycerol (PG) can be unambiguously assigned based on 2D 1H-31P total correlated spectroscopy (TOCSY) spectra. Furthermore, two quantitative methods to obtain absolute concentrations are proposed and discussed, and the performance is evaluated regarding precision and accuracy.

Feasibility study of smartphone-based Near Infrared Spectroscopy (NIRS) for salted minced meat composition diagnostics at different temperatures.

This research work evaluates the feasibility of a smartphone-based spectrometer (740-1070 nm) for salted minced meat composition diagnostics at industrial scale. A commercially available smartphone-based spectrometer and a benchtop NIR spectrometer (940-1700 nm) were used for acquiring 1312 spectra from meat samples stored at four different temperatures ranging from -14 °C to 25 °C. Thereafter, for each spectrometer, PLS and Random Forest regression models specific for each temperature and global models were created to predict the fat, moisture and protein contents. Fat and moisture can be estimated with the global model in a wide range of temperatures by using the smartphone-based spectrometer, which has an acceptable accuracy for quality control purposes (RPD > 7) and comparable to the accuracy of a benchtop spectrometer.